M460-4560 Screening compound: 2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-ethoxyphenyl)acetamide

M460-4560 Screening compound: 2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-ethoxyphenyl)acetamide
M460-4560 Screening compound: 2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-4560
2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-ethoxyphenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M460-4560

Molecular Formula

C22H28N6O3 (C22 H28 N6 O3)

Compound Name

2-[8-(3,5-dimethylpiperidin-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-[8-(35-dimethylpiperidin-1-yl)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN1N=C(C(N2CC(C)CC(C)C2)=NC=C2)N2C1=O)=O

InChI

InChI=1S/C22H28N6O3/c1-4-31-18-7-5-17(6-8-18)24-19(29)14-28-22(30)27-10-9-23-20(21(27)25-28)26-12-15(2)11-16(3)13-26/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,29)

InChI Key

YMVGSPYFMMLXEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.35

Polar Surface Area

72.199

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

M460-4560 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M460-4560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-4560?
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What is the minimum amount of M460-4560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-4560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-4560
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M460-4560 available by request